SCHEMBL12962012

SCHEMBL12962012

CC[C@H]1C[C@H](O)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
ABL1 P00519 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD11B1 P28845 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12962017 1.00 CXCR3 (0.46) CXCR3SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL14724222 0.88 CXCR3 (0.49) CXCR3SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL9892972 0.87 SMN1; SMN2 (0.44) CXCR3SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL9893158 0.87 SMN1; SMN2 (0.44) CXCR3SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL9893005 0.83 CXCR3 (0.48) CXCR3SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL12962011 0.81 HRH3 (0.48) CXCR3SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL12961935 0.80 SMN1; SMN2 (0.40) CXCR3SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL12961961 0.78 CXCR3 (0.37) CXCR3SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL12961966 0.77 LIPG (0.42) CXCR3SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL13813307 0.77 LIPG (0.49) CXCR3SMN1; SMN2HPGDKDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868178-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2011-01-11 US disclosed
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2009-06-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT TAAR1, CBR3, CBR1 CXCR3 476/4885SMN1; SMN2 2914/4885HPGD 3821/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.